N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide

C19H30N4O2S2 — CID 155455782

IUPACN-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide
SMILESCSSCN1CCC(Cc2ccccn2)(NC(=O)CN2CCOCC2)CC1
InChIInChI=1S/C19H30N4O2S2/c1-26-27-16-23-8-5-19(6-9-23,14-17-4-2-3-7-20-17)21-18(24)15-22-10-12-25-13-11-22/h2-4,7H,5-6,8-16H2,1H3,(H,21,24)
InChIKeyMXLMDSUMLBWZKJ-UHFFFAOYSA-N
MW410.61 g/mol
LogP1.88
Rot. Bonds8

About N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide

N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide (PubChem CID 155455782) has the molecular formula C19H30N4O2S2 and a molecular weight of 410.61 g/mol. Its IUPAC name is N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide
PubChem CID155455782
Molecular FormulaC19H30N4O2S2
Molecular Weight410.61 g/mol
Exact Mass410.18
IUPAC NameN-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide
SMILESCSSCN1CCC(Cc2ccccn2)(NC(=O)CN2CCOCC2)CC1
InChIInChI=1S/C19H30N4O2S2/c1-26-27-16-23-8-5-19(6-9-23,14-17-4-2-3-7-20-17)21-18(24)15-22-10-12-25-13-11-22/h2-4,7H,5-6,8-16H2,1H3,(H,21,24)
InChIKeyMXLMDSUMLBWZKJ-UHFFFAOYSA-N
XLogP1.88
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide (CID 155455782) is N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide is CSSCN1CCC(Cc2ccccn2)(NC(=O)CN2CCOCC2)CC1.
What is the InChIKey of N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide?
The InChIKey is MXLMDSUMLBWZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S2/c1-26-27-16-23-8-5-19(6-9-23,14-17-4-2-3-7-20-17)21-18(24)15-22-10-12-25-13-11-22/h2-4,7H,5-6,8-16H2,1H3,(H,21,24).
What are the key properties of N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide?
N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide has a molecular weight of 410.61 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(methyldisulfanyl)methyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 155455782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).